7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-oxo-4-[[(1R)-1-pyridin-2-ylethyl]amino]-1H-quinoline-3-carboxamide

C23H23N5O4 — CID 167441304

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-oxo-4-[[(1R)-1-pyridin-2-ylethyl]amino]-1H-quinoline-3-carboxamide
SMILESCOc1cc2c(N[C@H](C)c3ccccn3)c(C(N)=O)c(=O)[nH]c2cc1-c1c(C)noc1C
InChIInChI=1S/C23H23N5O4/c1-11(16-7-5-6-8-25-16)26-21-14-10-18(31-4)15(19-12(2)28-32-13(19)3)9-17(14)27-23(30)20(21)22(24)29/h5-11H,1-4H3,(H2,24,29)(H2,26,27,30)/t11-/m1/s1
InChIKeyOTKIXAQFRUGQRA-LLVKDONJSA-N
MW433.47 g/mol
LogP3.48
Rot. Bonds6

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-oxo-4-[[(1R)-1-pyridin-2-ylethyl]amino]-1H-quinoline-3-carboxamide

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-oxo-4-[[(1R)-1-pyridin-2-ylethyl]amino]-1H-quinoline-3-carboxamide (PubChem CID 167441304) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-oxo-4-[[(1R)-1-pyridin-2-ylethyl]amino]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-oxo-4-[[(1R)-1-pyridin-2-ylethyl]amino]-1H-quinoline-3-carboxamide
PubChem CID167441304
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-oxo-4-[[(1R)-1-pyridin-2-ylethyl]amino]-1H-quinoline-3-carboxamide
SMILESCOc1cc2c(N[C@H](C)c3ccccn3)c(C(N)=O)c(=O)[nH]c2cc1-c1c(C)noc1C
InChIInChI=1S/C23H23N5O4/c1-11(16-7-5-6-8-25-16)26-21-14-10-18(31-4)15(19-12(2)28-32-13(19)3)9-17(14)27-23(30)20(21)22(24)29/h5-11H,1-4H3,(H2,24,29)(H2,26,27,30)/t11-/m1/s1
InChIKeyOTKIXAQFRUGQRA-LLVKDONJSA-N
XLogP3.48
TPSA136.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-oxo-4-[[(1R)-1-pyridin-2-ylethyl]amino]-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

I-Bet151
CID 52912189
Odm-207
CID 118224658
2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide
CID 134823957
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-phenylethyl)-3H-imidazo[4,5-c]quinolin-2-one
CID 52932634
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-2-ylmethyl)-3H-imidazo[4,5-c]quinolin-2-one
CID 52934039
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 52934040
7-(3,5-dimethyl-4-isoxazolyl)-8-(methyloxy)-1-[(1S)-1-(2-pyridinyl)ethyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one
CID 52934275
7-(3,5-Dimethyl-4-isoxazolyl)-8-(methyloxy)-1-[(1R)-1-phenylethyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one
CID 52935183
4-(2-Tert-butylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxylic acid
CID 67207922
7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-fluorophenyl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 68204735
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-phenylpropyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 70664065
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 70664240

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-oxo-4-[[(1R)-1-pyridin-2-ylethyl]amino]-1H-quinoline-3-carboxamide?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-oxo-4-[[(1R)-1-pyridin-2-ylethyl]amino]-1H-quinoline-3-carboxamide (CID 167441304) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-oxo-4-[[(1R)-1-pyridin-2-ylethyl]amino]-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-oxo-4-[[(1R)-1-pyridin-2-ylethyl]amino]-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-oxo-4-[[(1R)-1-pyridin-2-ylethyl]amino]-1H-quinoline-3-carboxamide is COc1cc2c(N[C@H](C)c3ccccn3)c(C(N)=O)c(=O)[nH]c2cc1-c1c(C)noc1C.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-oxo-4-[[(1R)-1-pyridin-2-ylethyl]amino]-1H-quinoline-3-carboxamide?
The InChIKey is OTKIXAQFRUGQRA-LLVKDONJSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-11(16-7-5-6-8-25-16)26-21-14-10-18(31-4)15(19-12(2)28-32-13(19)3)9-17(14)27-23(30)20(21)22(24)29/h5-11H,1-4H3,(H2,24,29)(H2,26,27,30)/t11-/m1/s1.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-oxo-4-[[(1R)-1-pyridin-2-ylethyl]amino]-1H-quinoline-3-carboxamide?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-oxo-4-[[(1R)-1-pyridin-2-ylethyl]amino]-1H-quinoline-3-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-oxo-4-[[(1R)-1-pyridin-2-ylethyl]amino]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 167441304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).